Sugi Predict

Sugi Predict / Compounds / SCHEMBL1504430

SCHEMBL1504430

SCHEMBL1504430

COC(=O)c1cc(C(C)=O)c(N)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.47
▸ GAA P10253 6/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ GLA P06280 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ XDH P47989 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ULK1 O75385 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CFTR P13569 1/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SRC P12931 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9918749 0.87 CYP1A2 (0.49) CYP1A2GAAKDM4EGLATSHR
SCHEMBL12684540 0.78 CYP1A2 (0.41) CYP1A2GAAKDM4EGLATSHR
SCHEMBL9918705 0.73 CYP1A2 (0.42) CYP1A2GAAKDM4EGLAXDH
SCHEMBL7634346 0.70 CYP1A2 (0.55) CYP1A2GAAKDM4EGLATSHR
SCHEMBL2199077 0.70 ALDH1A1 (0.53) CYP1A2GAAKDM4EGLATSHR
SCHEMBL9918792 0.69 BRD4 (0.37) CYP1A2GAATSHRHPGDPOLB
Hydrochloric Acid SCHEMBL7485321 0.69 CYP1A2 (0.53) CYP1A2GAAKDM4EGLATSHR
SCHEMBL20568672 0.69 CHEK1 (0.51) CYP1A2GAAKDM4EGLAXDH
SCHEMBL25721356 0.69 XDH (0.47) CYP1A2GAAKDM4EGLAXDH
SCHEMBL15865616 0.69 CYP1A2 (0.62) CYP1A2GAAKDM4EGLAXDH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 — — WO disclosed
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 — — WO disclosed
CN-102574863-A Heterocyclic compounds as JANUS kinase inhibitors BIOCRYST PHARM INC 2012-07-11 — — CN disclosed
EP-2470537-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-07-04 — — EP disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 — — WO disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 CYP1A2 1299/4885GAA 3039/4885KDM4E 477/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.